Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine |
EINECS | 816-382-4 |
CAS No. | 1034301-08-0 | Density | 1.58 g/cm3 |
PSA | 136.62000 | LogP | 3.23980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H18Cl2N4O6 | Boiling Point | 642.6 °C at 760 mmHg |
Molecular Weight | 505.314 | Flash Point | 342.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-ribofuranosyl]-1 |
Article Data | 6 |
This chemical is called 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine, and it's also named as 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one. With the molecular formula of C22H18Cl2N4O6, its molecular weight is 505.31. The CAS registry number of this chemical is 1034301-08-0.
Other characteristics of the 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine can be summarised as followings: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 110.1 Å2; (7)Index of Refraction: 1.687; (8)Molar Refractivity: 121.64 cm3; (9)Molar Volume: 319.2 cm3; (10)Polarizability: 48.22×10-24cm3; (11)Surface Tension: 62.5 dyne/cm; (12)Density: 1.58 g/cm3; (13)Flash Point: 342.4 °C; (14)Enthalpy of Vaporization: 94.83 kJ/mol; (15)Boiling Point: 642.6 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(cc1)C(=O)OCC4OC(N/2C(=O)/N=C(\N=C\2)N)CC4OC(=O)c3ccc(Cl)cc3
2.InChI: InChI=1/C22H18Cl2N4O6/c23-14-5-1-12(2-6-14)19(29)32-10-17-16(34-20(30)13-3-7-15(24)8-4-13)9-18(33-17)28-11-26-21(25)27-22(28)31/h1-8,11,16-18H,9-10H2,(H2,25,27,31)
3.InChIKey: TWEZWUPSUOJPMB-UHFFFAOYAT